dimethyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H21N3O5/c1-21(2)16-5-7-22(8-6-16)12-17(23)20-15-10-13(18(24)26-3)9-14(11-15)19(25)27-4/h5-11H,12H2,1-4H3/p+1